2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline

C52H37N — CID 171452507

IUPAC2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4ccccc4-c4ccccc4)c4c([2H])c([2H])c(-c5cccc(-c6ccc7ccccc7c6)c5)c([2H])c4[2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C52H37N/c1-3-12-38(13-4-1)40-22-24-41(25-23-40)42-28-32-49(33-29-42)53(52-21-10-9-20-51(52)44-15-5-2-6-16-44)50-34-30-43(31-35-50)46-18-11-19-47(36-46)48-27-26-39-14-7-8-17-45(39)37-48/h1-37H/i1D,3D,4D,12D,13D,22D,23D,24D,25D,28D,29D,30D,31D,32D,33D,34D,35D
InChIKeyGKAPTXMUGHTKNK-SUIBNWANSA-N
MW692.98 g/mol
LogP14.64
Rot. Bonds8

About 2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline

2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline (PubChem CID 171452507) has the molecular formula C52H37N and a molecular weight of 692.98 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
PubChem CID171452507
Molecular FormulaC52H37N
Molecular Weight692.98 g/mol
Exact Mass692.40
IUPAC Name2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4ccccc4-c4ccccc4)c4c([2H])c([2H])c(-c5cccc(-c6ccc7ccccc7c6)c5)c([2H])c4[2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C52H37N/c1-3-12-38(13-4-1)40-22-24-41(25-23-40)42-28-32-49(33-29-42)53(52-21-10-9-20-51(52)44-15-5-2-6-16-44)50-34-30-43(31-35-50)46-18-11-19-47(36-46)48-27-26-39-14-7-8-17-45(39)37-48/h1-37H/i1D,3D,4D,12D,13D,22D,23D,24D,25D,28D,29D,30D,31D,32D,33D,34D,35D
InChIKeyGKAPTXMUGHTKNK-SUIBNWANSA-N
XLogP14.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.98
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(2-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451676
2,3,5,6-tetradeuterio-N-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-4-(3-phenylphenyl)aniline
CID 171451141
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 171452063
2,3,5,6-tetradeuterio-N-(3-naphthalen-2-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]aniline
CID 171451806
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171452396
2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 171452428
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451790
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 171451879
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 171452941
2,3,5,6-tetradeuterio-N,N-bis(3-naphthalen-2-ylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)aniline
CID 171451372
2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 171452175
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-4-amine
CID 171451857

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?
The IUPAC name of 2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline (CID 171452507) is 2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline.
What is the SMILES notation for 2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?
The canonical SMILES for 2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4ccccc4-c4ccccc4)c4c([2H])c([2H])c(-c5cccc(-c6ccc7ccccc7c6)c5)c([2H])c4[2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?
The InChIKey is GKAPTXMUGHTKNK-SUIBNWANSA-N. The full InChI is InChI=1S/C52H37N/c1-3-12-38(13-4-1)40-22-24-41(25-23-40)42-28-32-49(33-29-42)53(52-21-10-9-20-51(52)44-15-5-2-6-16-44)50-34-30-43(31-35-50)46-18-11-19-47(36-46)48-27-26-39-14-7-8-17-45(39)37-48/h1-37H/i1D,3D,4D,12D,13D,22D,23D,24D,25D,28D,29D,30D,31D,32D,33D,34D,35D.
What are the key properties of 2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?
2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline has a molecular weight of 692.98 g/mol, XLogP of 14.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 171452507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).